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CHEBI:31529 - ecgonine methyl ester
| Formula | C10H17NO3 |
| Net Charge | 0 |
| Average Mass | 199.250 |
| Monoisotopic Mass | 199.12084 |
| SMILES | [H][C@]12CC[C@]([H])([C@@H](C(=O)OC)[C@@H](O)C1)N2C |
| InChI | InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1 |
| InChIKey | QIQNNBXHAYSQRY-UYXSQOIJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | peripheral nervous system drug A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system. opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. central nervous system depressant A loosely defined group of drugs that tend to reduce the activity of the central nervous system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ecgonine methyl ester (CHEBI:31529) has functional parent ecgonine (CHEBI:4743) |
| ecgonine methyl ester (CHEBI:31529) has role analgesic (CHEBI:35480) |
| ecgonine methyl ester (CHEBI:31529) has role central nervous system depressant (CHEBI:35488) |
| ecgonine methyl ester (CHEBI:31529) has role metabolite (CHEBI:25212) |
| ecgonine methyl ester (CHEBI:31529) has role mouse metabolite (CHEBI:75771) |
| ecgonine methyl ester (CHEBI:31529) has role opioid analgesic (CHEBI:35482) |
| ecgonine methyl ester (CHEBI:31529) has role peripheral nervous system drug (CHEBI:49110) |
| ecgonine methyl ester (CHEBI:31529) is a methyl ester (CHEBI:25248) |
| ecgonine methyl ester (CHEBI:31529) is a tertiary amino compound (CHEBI:50996) |
| ecgonine methyl ester (CHEBI:31529) is a tropane alkaloid (CHEBI:37332) |
| ecgonine methyl ester (CHEBI:31529) is conjugate base of ecgoninium methyl ester(1+) (CHEBI:59908) |
| Incoming Relation(s) |
| O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (CHEBI:273574) has functional parent ecgonine methyl ester (CHEBI:31529) |
| ecgoninium methyl ester(1+) (CHEBI:59908) is conjugate acid of ecgonine methyl ester (CHEBI:31529) |
| IUPAC Names |
|---|
| (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-ol |
| methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Synonyms | Source |
|---|---|
| Methyl ecgonine | KEGG COMPOUND |
| Methyl ecgonine | ChemIDplus |
| Citations |
|---|